./iterations/neb0_image06_iter113.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.469988329844 0.226882530958 0.490959591682} O1 1 1
14 {} {0.33035848813 0.223454756267 0.57600857174} Si1 2 1
14 {} {0.598622061727 0.319761752487 0.448578650035} Si2 3 1
8 {} {0.554780259976 0.472730622231 0.413882312925} O2 4 1
8 {} {0.323340820377 0.353239790713 0.676529069946} O3 5 1
14 {} {0.294221895765 0.515257782219 0.670336098149} Si3 6 1
14 {} {0.496219364439 0.620060562453 0.445707272191} Si4 7 1
1 {} {0.327950706861 0.0995852938578 0.657563971684} H1 8 1
1 {} {0.214552650207 0.227663655019 0.482689066245} H2 9 1
1 {} {0.653265654655 0.264839504983 0.323421234314} H3 10 1
1 {} {0.696695403767 0.323140211887 0.560427998088} H4 11 1
1 {} {0.147347402407 0.538488641996 0.670979233501} H5 12 1
1 {} {0.360217342655 0.576461537721 0.788866299743} H6 13 1
1 {} {0.375367886555 0.801348442463 0.457822727045} H7 14 1
1 {} {0.492221672406 0.680165642555 0.307469490418} H8 15 1
1 {} {0.590713412967 0.698385522976 0.530761959915} H10 16 1
8 {} {0.35516641964 0.579217531931 0.531077515681} O 17 1
1 {} {0.329056323762 0.751834162677 0.497976934012} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end